Geometry & MOs

Info

ID:	341748
PubChem CID:	127264441
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	431.177583
ΔH_f, kcal/mol:	-124.36
Dipole, Da:	5.32
IP(EA), eV:	-8.54(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)-1-[(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl)methyl]-1-(2-methylpropyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)CC(C(=O)N2)CN(CC(C)C)C(=O)NC3=CC(=CC=C3)OC)C

DOS

IR

Vibrations